PD136450

Ligand id: 867

Name: PD136450

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 15
Topological polar surface area 149.62
Molecular weight 612.29
XLogP 6.42
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid
Synonyms
CAM 1189 | PD 136450 | PD-136,450 | PD-136450
Database Links
BindingDB Ligand 50007439
CAS Registry No. 139067-52-0 (source: Scifinder)
PubChem CID 6439414
Search Google for chemical match using the InChIKey REMAMJQTIPBFTH-MYJPUEAFSA-N
Search Google for chemicals with the same backbone REMAMJQTIPBFTH
Search UniChem for chemical match using the InChIKey REMAMJQTIPBFTH-MYJPUEAFSA-N
Search UniChem for chemicals with the same backbone REMAMJQTIPBFTH